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27-750

Texture, Microstructure & Anisotropy

A.D. Rollet

2

Bibliography

• R.E. Newnham, Properties of Materials: Anisotropy, Symmetry, Structure,

Oxford University Press, 2004, 620.112 N55P.

• Nye, J. F. (1957). Physical Properties of Crystals. Oxford, Clarendon Press.

• Kocks, U. F., C. Tomé and R. Wenk (1998). Texture and Anisotropy, Cambridge

University Press, Cambridge, UK. Chapter 7.

• T. Courtney, Mechanical Behavior of Materials, McGraw-Hill, 0-07-013265-8,

620.11292 C86M.

• Reid, C. N. (1973). Deformation Geometry for Materials Scientists. Oxford, UK,

Pergamon.

• Newey, C. and G. Weaver (1991). Materials Principles and Practice. Oxford,

England, Buterworth-Heinemann.

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3

Notation

F Stimulus (field) a transformation matrix

R Response W work done (energy)

P Property dW work increment

j electric current I identity matrix

E electric field O symmetry operator (matrix)

D electric polarization Y Young’s modulus

e Strain (also, permutation d Kronecker delta

tensor) e axis (unit) vector

s Stress (or conductivity) T tensor

r Resistivity direction cosine

d piezoelectric tensor

C elastic stiffness

S elastic compliance

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4

Objective

• The objective of this lecture is to provide a mathematical framework

for the description of properties, especially when they vary with

direction.

• A basic property that occurs in almost applications is elasticity.

Although elastic response is linear for all practical purposes, it is often

anisotropic (composites, textured polycrystals etc.).

• Why do we care about elastic anisotropy? In composites, especially

fibre composites, it is easy to design in substantial anisotropy by

varying the lay-up of the fibres. See, for example:

http://www.jwave.vt.edu/crcd/kriz/lectures/Geom_3.html

• Geologists are very familiar with elastic anisotropy and exploit it for

understanding seismic results; see, e.g.,

https://en.wikipedia.org/wiki/Seismic_anisotropy .

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5

In Class Questions

1. Why is plastic yielding a non-linear property, in contrast to elastic

deformation?

2. What is the definition of a tensor?

3. Why is stress is 2nd-rank tensor?

4. Why is elastic stiffness a 4th-rank tensor?

5. What is “matrix notation” (in the context of elasticity)?

6. What are the relationships between tensor and matrix coefficients for

stress? Strain? Stiffness? Compliance?

7. Why do we need factors of 2 and 4 in some of these conversion factors?

8. How do we use crystal symmetry to decrease the number of coefficients

needed to describe stiffness and compliance?

9. How many independent coefficients are needed for stiffness (and

compliance) in cubic crystals? In isotropic materials?

10. How do we express the directional dependence of Young’s modulus?

11. What is Zener’s anisotropy factor?

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6

Q&A

1. How do we write the relationship between (tensor) stress and (tensor) strain? s=C:e. How about the other way

around? e=S:s. What are “stiffness” and “compliance” in this context? The stiffness tensor is the collection of

coefficients that connect all the different stress coefficients/components to all the different strain

coefficients/components. How do we express this in Voigt or vector-matrix notation? The only difference is that the

stress and strain are vectors and the stiffness and compliance are matrices. If indices are used then stress and strain

each have two indices and the stiffness and compliance each have four.

2. What are the relationships between the coefficients of the (4th rank) stiffness tensor and the stiffness matrix (6x6)? See

the notes for details but, e.g., {11,22,33}tensor correspond to {1,2,3}matrix. E.g. C12(matrix)=C1122(tensor). What about the

compliance tensor and matrix? Here, more care is required because certain coefficients have factors of 2 or 4.

3. What does work conjugacy mean? The energy stored in a body when elastic strains and stresses are present is

calculated as the product of the stress and strain, which means that the work done makes the strain and stress

conjugate (joined) variables. What does this mean for the relationships between (2nd rank) tensor stress and its vector

form? What about strain? Answering these two together, we note that work conjugacy means that whatever notation

is used to express stress and strain, the product of the two must be the same because of conservation of energy. This

then explains why factors of two are used in the conversion to/from matrix to tensor representations of the shear

components of strain (but not the normal strain components). These factors of two could have been applied to stress,

but by convention we do this for strain.

4. How do we write the tensor transformation rule in vector-matrix notation? See the notes for details but the basic idea

is that a 6x6 matrix (that can be applied to a stiffness or compliance tensor) is formed from the coefficients of the

transformation matrix.

5. How do we apply crystal symmetry to elastic moduli (e.g. the stiffness tensor)? We apply a symmetry operator to the

(stiffness) tensor and set the new and old versions of the tensor equal to each other, coefficient by coefficient. What

net effect does it have on the stiffness matrix for cubic materials? Applying the cubic crystal symmetry to the stiffness

tensor reduces most of the coefficients to zero and there are only 3 independent coefficients that remain.

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7

Q&A, part 2

6. How do we convert from stiffness to compliance (and vice versa)? The detailed mathematics is out of

scope for this course. It is sufficient to know that the two tensors combine to form a 4th rank identity

tensor, from which one can obtain algebraic relationships as given in the notes. Be aware that these

formulae depend on the crystal symmetry (as do the compliance & stiffness tensors themselves).

7. How do we apply symmetry (and transformations of axes in general) to the property of anisotropic

elasticity? There are two answers. The first answer is that one can apply the tensor transformation

rule, just as explained in previous lectures. Generate the transformation matrix with any the methods

described (i.e. dot products between old and new axes, or using the combination of axis and angle).

Then write out the transformation with 4 copies of the matrix taking care to specify the indices

correctly. The alternative answer is to generate a 6x6 transformation matrix that can be used with

vector-matrix (Voigt) notation for either the stress, strain (6x1) vectors or the modulus (6x6) matrix.

8. How do we show that symmetry reduces the number of independent coefficients in an anisotropic

elasticity modulus tensor? Given a symmetry matrix, one proceeds just as in the previous examples

i.e. apply symmetry and then equate individual coefficients to find the cases of either zero or

equality(between different coefficients).

9. How do we calculate the (anisotropic) elastic (Young’s) modulus in an arbitrary direction? This looks

ahead to the next lecture. The idea is to realize that a tensile test is such that there is only one non-

zero coefficient in the stress tensor (or vector); the strain tensor, however, has to have more than one

non-zero coefficient (because of the Poisson effect). Therefore one uses the relationship that strain =

compliance x stress. By rotating the compliance tensor such that one axis (usually x) is parallel to the

desired direction, one obtains the Young’s modulus in that direction as 1/S11.

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8

• The practical applications of anisotropy of

composites, especially fiber-reinforced

composites are numerous.

• The stiffness of fiber composites varies

tremendously with direction. Torsional rigidity is

very important in car bodies, boats, aeroplanes

etc.

• Even in monolithic polymers (e.g. drawn

polyethylene) there exists large anisotropy

because of the alignment of the long-chain

molecules.

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9

• Piezoelectric quartz crystals are commonly used for frequency control

in watches and clocks. Despite having small values of the

piezoelectric coefficients, quartz has positive aspects of low losses

and the availability of orientations with negligible temperature

sensitivity. The property of piezoelectricity relates strain to electric

field, or polarization to stress.

• eij = dijkEk

• PZT, lead zirconium titanate PbZr1-xTixO3, is another commonly used

piezoelectric material.

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10 Examinable

Piezoelectric Devices

• The property of piezoelectricity relates strain to electric field, or

polarization to stress.

eij = dijkEk

• PZT, lead zirconium titanate PbZr1-xTixO3, is another commonly

used piezoelectric material.

Note: Newnham consistently

uses vector-matrix notation,

rather than tensor notation. We

will explain how this works later

on.

[Newnham]

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11

Piezoelectric Crystals

• How is it that crystals can be piezoelectric?

• The answer is that the bonding must be ionic to some

degree (i.e. there is a net charge on the different

elements) and the arrangement of the atoms must be

non-centrosymmetric.

• PZT is a standard piezoelectric material. It has Pb atoms

at the cell corners (a~4Å), O on face centers, and a Ti or

Zr atom near the body center. Below a certain

temperature (Curie T), the cell transforms from cubic

(high T) to tetragonal (low T). Applying stress distorts

the cell, which changes the electric displacement in

different ways (see figure).

• Although we can understand the effect at the single

crystal level, real devices (e.g. sonar transducers) are

polycrystalline. The operation is much complicated than

discussed here, and involves “poling” to maximize the

response, which in turns involves motion of domain

walls.

[Newnham]

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12

Mathematical Descriptions

• Mathematical descriptions of properties are available.

• Mathematics, or a type of mathematics provides a

quantitative framework. It is always necessary, however,

to make a correspondence between mathematical

variables and physical quantities.

• In group theory one might say that there is a set of

mathematical operations & parameters, and a set of

physical quantities and processes: if the mathematics is a

good description, then the two sets are isomorphous.

• This lecture makes extensive use of tensors. A tensor is a

quantity that can be transformed from one set of axes to

another via the tensor transformation rule (next slide).

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13

• In order for a quantity to “qualify” as a tensor it has to obey the

axis transformation rule, as discussed in the previous slides.

• The transformation rule defines relationships between

transformed and untransformed tensors of various ranks.

• It says that any tensor quantity can be transformed from one

reference frame to another; this transformation of axes is

sometimes called a passive rotation.

2nd rank T’ij = aikailTkl

3rd rank T’ijk = ailaimaknTlmn

4th rank T’ijkl = aimainakoalpTmnop

This rule is a critical piece of information, which

you must know how to use.

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14

• Another important example of non-linear anisotropic properties is

plasticity, i.e. the irreversible deformation of solids.

• A typical description of the response at plastic yield

(what happens when you load a material to its yield stress)

is elastic-perfectly plastic. In other

words, the material responds

elastically until the yield stress is

reached, at which point the stress

remains constant (strain rate

unlimited).

n

large exponent, n~50. The stress is scaled by the crss, æ s ö

and be expressed as either shear stress- e˙ = ç ÷

shear strain rate [graph], or tensile stress-tensile strain è s yield ø

[equation].

[Kocks]

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15

Linear properties

• Certain properties, such as elasticity in most

cases, are linear which means that we can

simplify even further to obtain

R = R0 + PF

or if R0 = 0, stiffness

R = PF.

e.g. elasticity: s = C e

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16

Elasticity

• Elasticity: example of a property that requires tensors to

describe it fully.

• Even in cubic metals, a crystal is quite anisotropic. The

[111] in many cubic metals is stiffer than the [100]

direction.

• Even in cubic materials, 3 numbers/coefficients/moduli

are required to describe elastic properties; isotropic

materials only require 2.

• Familiarity with Miller indices, suffix notation, Einstein

convention, Kronecker delta, permutation tensor, and

tensors is assumed.

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17

Elastic Anisotropy: 1

• First we restate the linear elastic relations for the

properties Compliance, writen S, and Stiffness,

writen C (admitedly not very logical choice of

notation), which connect stress, s, and strain, e.

We write it first in vector-tensor notation with “:”

signifying inner product (i.e. add up terms that

have a common suffix or index in them):

s = C:e

e = S:s

• In component form (with suffixes),

sij = Cijklekl

eij = Sijklskl

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18

Elastic Anisotropy: 2

The definitions of the stress and strain tensors mean

that they are both symmetric (second rank)

tensors. Therefore we can see that

e23 = S2311s11

e32 = S3211s11 = e23

which means that,

S2311 = S3211

and in general,

Sijkl = Sjikl

We will see later on that this reduces considerably

the number of different coefficients needed.

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19

• Consider how to express the elastic properties of a single

crystal in the sample coordinates. In this case we need to

rotate the (4th rank) tensor stiffness from crystal

coordinates to sample coordinates using the orientation

(matrix), a :

cijkl' = aimajnakoalpcmnop

• Note how the transformation matrix appears four times

because we are transforming a 4th rank tensor!

• The axis transformation matrix, a, is sometimes also

writen as l, also as the orientation matrix g.

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20

Young’s modulus from

compliance

• Young's modulus as a function of direction can be

obtained from the compliance tensor as:

E=1/s'1111

Using compliances and a stress boundary

condition (only s110) is most straightforward. To

obtain s'1111, we simply apply the same

transformation rule,

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21

• It is useful to re-express the three quantities

involved in a simpler format. The stress and strain

tensors are vectorized, i.e. converted into a 1x6

notation and the elastic tensors are reduced to

6x6 matrices.

æ s1 1 s 1 2 s 1 3ö æ s 1 s 6 s 5ö

ç s 2 1 s 2 2 s 2 3÷ ¬¾®ç s 6 s 2 s 4 ÷

ç ÷ ç ÷

è s 3 1 s 3 2 s 3 3ø ès 5 s 4 s 3ø

¬¾®( s 1 ,s 2 , s 3 , s 4 ,s 5 ,s 6 )

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22

• Similarly for strain:

æ e1 1 e1 2 e1 3ö æ e1 1

2

e6 1

2

e5 ö

ç e 2 1 e 2 2 e 2 3÷ ¬¾®ç 1 e 6 e2 1

e4 ÷

ç ÷ ç 21 2

÷

è e 3 1 e 3 2 e 3 3ø è 2 e5 e e3 ø

1

2 4

¬¾®( e 1 ,e 2 , e 3 , e 4 , e 5 , e 6 )

reduced notation happens to correspond to that used in

mechanical engineering such that e4 is the change in angle

between direction 2 and direction 3 due to deformation.

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23

• The more important consideration is that the

reason for the factors of two is so that work

conjugacy is maintained.

s = Ce and e = Ss to give:

s = CSs, which shows:

I = CS, or, C = S-1

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24

• Lastly we need a way to convert the tensor

coefficients of stiffness and compliance to the

matrix coefficients. For stiffness, it is very simple

because one substitutes values according to the

following table, such that [vector-matrix] C11

= C1111 [tensor] for example.

Tensor 11 22 33 23 32 13 31 12 21

Matrix 1 2 3 4 4 5 5 6 6

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25

Stiffness Matrix

é C11 C12 C13 C14 C15 C16 ù

ê ú

ê C12 C22 C23 C24 C25 C26 ú

ê ú

C13 C23 C33 C34 C35 C36 ú

C =ê

ê C14 C24 C34 C44 C45 C46 ú

ê ú

ê C15 C25 C35 C45 C55 C56 ú

ê C16 C26 C36 C46 C56 C66 úû

ë

Vector-matrix notation (two indices for the moduli, one index for stress or

strain); note that this matrix is symmetric, therefore there are only 21

independent coefficients, even for triclinic crystals (see later slides).

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26

Axis Transformations

• It is still possible to perform axis transformations, as

allowed for by the Tensor Rule. The coefficients can be

combined [Newnham] together into a 6 by 6 matrix that

can be used for 2nd rank tensors such as stress and strain,

below.

• Stress (in vector notation)

transforms as:

X’i = ij Xj

• Strain (in vector notation)

transforms as:

x’i = (-1ij)T xj

where superscript “T”

signifies transpose of the

matrix.

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27

• For compliance some factors of two are required

and so the rule becomes:

pSijkl = Smn

p=1 m.AND.n Î[ 1,2, 3]

p= 2 m.XOR.n Î[1, 2, 3]

p= 4 m.AND.nÎ[ 4,5,6 ]

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28

C in terms of S

Some additional useful relations between coefficients for

cubic materials are as follows. Symmetrical relationships

exist for compliances in terms of stiffnesses (next slide).

C11 = (S11+S12)/{(S11-S12)(S11+2S12)}

C12 = -S12/{(S11-S12)(S11+2S12)}

C44 = 1/S44.

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29

S in terms of C

The relationships for S in terms of C are symmetrical to those

for stiffnesses in terms of compliances (a simple exercise

in algebra).

S11 = (C11+C12)/{(C11-C12)(C11+2C12)}

S12 = -C12/{(C11-C12)(C11+2C12)}

S44 = 1/C44.

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30

Neumann's Principle

the symmetry elements of any physical property of

a crystal must include the symmetry elements of

the point group of the crystal. The property may

have additional symmetry elements to those of

the crystal (point group) symmetry. There are 32

crystal classes for the point group symmetry.

• F.E. Neumann 1885.

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31

Neumann, extended

network that is arranged in a non-uniform way then the

symmetry of certain properties may be reduced from the

crystal symmetry. In principle, a finite elastic strain in one

direction decreases the symmetry of a cubic crystal to

tetragonal or less. Therefore the modified version of

Neumann's Principle: the symmetry elements of any

physical property of a crystal must include the symmetry

elements that are common to the point group of the

crystal and the defect structure contained within the

crystal.

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32

• Consider an active rotation of the crystal, where O is the

symmetry operator. Since the crystal is indistinguishable

(looks the same) after applying the symmetry operator,

the result before, R(1), and the result after, R(2), must be

identical:

(1)

R = PF ï ü

(2) T ï

R = OPO F ý

(1) = (2 ) ï

R ¬ ¾ ® R ïþ

The two results are indistinguishable and therefore

equal. It is essential, however, to express the property

and the operator in the same (crystal) reference frame.

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33

• Expressed mathematically, we can rotate, e.g. a second rank property tensor

thus:

P' = OPOT = P , or, in coefficient notation,

P’ij = OikOilPkl

• Since the rotated (property) tensor, P’, must be the same as the original

tensor, P, then we can equate coefficients:

P’ij = Pij

• If we find, for example, that P’21 = -P21,then the only value of P21 that satisfies

this equality is P21 = 0.

• Remember that you must express the property with respect to a particular set

of axes in order to use the coefficient form. In everything related to single

crystals, always use the crystal axes as the reference frame!

• Homework question: based on cubic crystal symmetry, work out why a second

rank tensor property can only have one independent coefficient.

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34

• Why do we need to look at the effect of symmetry? For a

cubic material, only 3 independent coefficients are needed

as opposed to the 81 coefficients in a 4th rank tensor. The

reason for this is the symmetry of the material.

• What does symmetry mean? Fundamentally, if you pick

up a crystal, rotate [mirror] it and put it back down, then a

symmetry operation [rotation, mirror] is such that you

cannot tell that anything happened.

• From a mathematical point of view, this means that the

property (its coefficients) does not change. For example,

if the symmetry operator changes the sign of a coefficient,

then it must be equal to zero.

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35

• The table from Nye shows the number of independent, non-zero coefficients allowed in

a 2nd rank tensor according to the crystal symmetry class.

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36 Examinable

• Following Reid, p.66 et seq.:

Apply a -90° rotation about the crystal-z axis (axis 3)*,

C’ijkl = OimOjnOkoOlpCmnop:

æ 0 1 0ö

C’ = C ç ÷

z

O4 = ç -1 0 0÷

é C22 C21 C23 C25 -C24 -C26 ù ç ÷

ê ú è 0 0 1ø

ê C21 C11 C13 C15 -C14 -C16 ú

ê ú *Reid describes

C23 C13 C33 C35 -C34 -C36

C¢ = ê ú this as +90°, but

-90° reproduces

ê C25 C15 C35 C55 -C54 -C56 ú his result

ê ú (because he

ê -C24 -C14 -C34 -C54 C44 C46 ú apparently

ê -C26 -C16 -C36 -C56 C46 C66 ú considers

ë û positive to be

clockwise).

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37 Examinable

Effect of symmetry, 2

• Using P’ = P, we can equate all the coefficients in

the 6x6 matrix and find that:

C11=C22, C13=C23, C44=C35, C16=-C26,

C14=C15 = C24 = C25 = C34 = C35 = C36 = C45 = C46 = C56

= 0.

éC11 C12 C13 0 0 C16 ù

ê ú

êC12 C11 C13 0 0 -C16 ú

êC13 C13 C33 0 0 0 ú

C¢ = ê ú

ê0 0 0 C44 0 0 ú

ê0 0 0 0 C44 C46 ú

ê ú

ëC16 -C16 0 0 C46 C66 û

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38

Effect of symmetry, 3

• Thus by repeated applications of the symmetry

operators, one can demonstrate (for cubic crystal

symmetry) that one can reduce the 81 coefficients

down to only 3 independent quantities. These

become two in the case of isotropy.

ê ú

êC12 C11 C12 0 0 0 ú

ê ú

êC12 C12 C11 0 0 0 ú

ê 0 0 0 C44 0 0 úú

ê

ê 0 0 0 0 C44 0 ú

ê ú

êë 0 0 0 0 0 C44 úû

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39

• If one applies the symmetry elements of the

cubic system, it turns out that only three

independent coefficients remain: C11, C12 and

C44, (similar set for compliance). From these

three, a useful combination of the first two is

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40

• C' = (C11 - C12)/2 turns out to be the stiffness associated with a

shear in a <110> direction on a plane. In certain martensitic

transformations, this modulus can approach zero which

corresponds to a structural instability.

• Zener (Physics, Carnegie Tech. Inst.) proposed a measure of

elastic anisotropy based on the ratio C44/C'. This turns out to

be a useful criterion for identifying materials that are elastically

anisotropic, i.e., via the extent to which C44/C' varies from

unity.

• Note that this provides a way to convert an anisotropic elastic

stiffness into an isotropic one. One can, e.g., adjust C12 until the

Zener ratio=1. Some care is required, however, because one

might want to match some average Young’s modulus, for

example.

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41

compliance tensor, using cubic point group

symmetry, and find that:

(

S1¢ 1 = S1 1 a141 + a142 + a143 )

+

2 2

(

2S1 2 a1 2a1 3 +

2 2

a1 1a1 2 +

2 2

a1 1a1 3 )

+ (

2 2

S4 4 a1 2a1 3 +

2 2

a1 1a1 2 +

2 2

a1 1a1 3 )

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42

• This can be further simplified with the aid of the standard

relations between the direction cosines, aikajk = 1 for i=j;

aikajk = 0 for ij, (aikajk = dij) to read as follows.

s11¢ = s11 -

æ s44 ö 2 2

2ç s11 - s12 - ÷{ 1 2 + 2 3 + 31 }

2 2 2 2

è 2ø

• By definition, the Young’s modulus in any direction is given

by the reciprocal of the compliance, E = 1/S’11.

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43

• Thus the second term on the RHS is zero for <100>

directions and, for C44/C'>1, a maximum in <111>

directions (conversely

a minimum for C44/C'<1). Material

Cu

C /C'

3.21

E /E

2.87

44 111 100

A1 1.22 1.19

that most cubic metals have Fe 2.41 2.15

positive values of Zener's Ta 1.57 1.50

W (2000K) 1.23 1.35

coefficient so that <100> W (R.T.) 1.01 1.01

is soft and <111> is hard, V 0.78 0.72

Nb 0.55 0.57

with the exceptions of V b-CuZn 18.68 8.21

and NaCl. spinel 2.43 2.13

MgO 1.49 1.37

NaC1 0.69 0.74

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44

[Courtney]

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45

• Another way to write the above equation is to

insert the values for the Young's modulus in the

soft and hard directions, assuming that the <100>

are the most compliant direction(s). (Courtney

uses , b, and g in place of my 1, 2, and 3.) The

advantage of this formula is that moduli in specific

directions can be used directly.

1 1 ì 1 1 ü 2 2

ý( 1 2 + 2 3 + 3 1 )

2 2 2 2

= - 3í -

Euvw E100 î E100 E11 1þ

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46

Example Problem

[Courtney]

Should be E<111>= 18.89

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47

Alternate Vectorization

textbook, is to use the above set of eigentensors. For both stress and strain,

one can matrix multiply each eigentensor into the stress/strain tensor in turn

and obtain the coefficient of the corresponding stress/strain vector. Work

conjugacy is still satisfied. The first two eigentensors represent shears in the

{110} planes; the next three are simple shears on {110}<110> systems, and the

last (6th) is the hydrostatic component. The same vectorization can be used for

plastic anisotropy, except in this case, the sixth, hydrostatic component is

(generally) ignored.

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48

Summary

• We have covered the following topics:

– Linear properties

– Non-linear properties

– Examples of properties

– Tensors, vectors, scalars, tensor transformation law.

– Elasticity, as example as of higher order property, also

as example as how to apply (crystal) symmetry.

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49

Supplemental Slides

• The following slides contain some useful material

for those who are not familiar with all the detailed

mathematical methods of matrices,

transformation of axes, tensors etc.

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50

Einstein Convention

• The Einstein Convention, or summation rule for

suffixes looks like this:

Ai = Bij Cj

where “i” and “j” both are integer indexes whose

range is {1,2,3}. So, to find each “ith” component

of A on the LHS, we sum up over the repeated

index, “j”, on the RHS:

A1 = B11C1 + B12C2 + B13C3

A2 = B21C1 + B22C2 + B23C3

A3 = B31C1 + B32C2 + B33C3

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51

Matrix Multiplication

• Take each row of the LH matrix in turn and

multiply it into each column of the RH matrix.

• In suffix notation, aij = bikckj

éa + bd + cg ab + be + cm ag + bf + cn ù

ê ú

êd + ed + fg db + ee + fm dg + ef + fn ú

ê ú

ël + md + ng lb + me + nm lg + mf + nn û

éa b c ù é b gù

ê ú ê ú

= êd e f ú ´ êd e fú

ê ú ê ú

ë l m nû ë l m nû

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52

• The rotation matrix is an orthogonal matrix, meaning that

any row is orthogonal to any other row (the dot products

are zero). In physical terms, each row represents a unit

vector that is the position of the corresponding (new) old

axis in terms of the (old) new axes.

• The same applies to columns: in suffix notation -

aijakj = dik, ajiajk = dik

éa b cù

ê ú ad+be+cf = 0

êd e f ú

ê ú

ë l m nû

bc+ef+mn = 0

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53

Direction Cosines,

contd.

• That the set of direction cosines are not independent is

evident from the following construction:

eˆi¢ × eˆ ¢j = aikajl eˆk × eˆl = aikajldkl = aikajk = dij

Thus, there are six relationships (i takes values from 1 to 3,

and j takes values from 1 to 3) between the nine direction

cosines, and therefore, as stated above, only three are

independent, exactly as expected for a rotation.

• Another way to look at a rotation: combine an axis

(described by a unit vector with two parameters) and a

rotation angle (one more parameter, for a total of 3).

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54

Orthogonal Matrices

• Note that the direction cosines can be arranged

into a 3x3 matrix, L, and therefore the relation

above is equivalent to the expression

T

LL = I

where L T denotes the transpose of L. This

relationship identifies L as an orthogonal matrix,

which has the properties

-1 T

L =L det L = ±1

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55

Relationships

• When both coordinate systems are right-handed,

det(L)=+1 and L is a proper orthogonal matrix. The

orthogonality of L also insures that, in addition to the

relation above, the following holds:

eˆ j = aij eˆi¢

Combining these relations leads to the following inter-

relationships between components of vectors in the two

coordinate systems:

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56

Transformation Law

• These relations are called the laws of transformation for

the components of vectors. They are a consequence of,

and equivalent to, the parallelogram law for addition of

vectors. That such is the case is evident when one

considers the scalar product expressed in two coordinate

systems:

u× v = uivi = aji u¢j akiv¢k =

d jku¢j v¢k = u¢j v¢j = u¢iv¢i

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57

Invariants

Thus, the transformation law as expressed preserves the

lengths and the angles between vectors. Any function of

the components of vectors which remains unchanged

upon changing the coordinate system is called an invariant

of the vectors from which the components are obtained.

The derivations illustrate the fact that the scalar product

u× v

is an invariant of and . Other examples of u v

invariants include the vector product of two vectors and

the triple scalar product of three vectors. The reader

should note that the transformation law for vectors also

applies to the components of points when they are

referred to a common origin.

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58

Orthogonality

• A rotation matrix, L, is an orthogonal matrix,

however, because each row is mutually

orthogonal to the other two.

• Equally, each column is orthogonal to the other

two, which is apparent from the fact that each

row/column contains the direction cosines of the

new/old axes in terms of the old/new axes and we

are working with [mutually perpendicular]

Cartesian axes.

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59

Anisotropy

• Anisotropy as a word simply means that something varies with direction.

• Anisotropy is from the Greek: aniso = different, varying; tropos = direction.

• Almost all crystalline materials are anisotropic; many materials are engineered

to take advantage of their anisotropy (beer cans, turbine blades, microchips…)

• Older texts use trigonometric functions to describe anisotropy but tensors

offer a general description with which it is much easier to perform

calculations.

• For materials, what we know is that some properties are anisotropic. This

means that several numbers, or coefficients, are needed to describe the

property - one number is not sufficient.

• Elasticity is an important example of a property that, when examined in single

crystals, is often highly anisotropic. In fact, the lower the crystal symmetry,

the greater the anisotropy is likely to be.

• Nomenclature: in general, we need to use tensors to describe fields and

properties. The simplest case of a tensor is a scalar which is all we need for

isotropic properties. The next “level” of tensor is a vector, e.g. electric

current.

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60

• Scalar:= quantity that requires only one number, e.g.

density, mass, specific heat. Equivalent to a zero-rank

tensor.

• Vector:= quantity that has direction as well as

magnitude, e.g. velocity, current, magnetization;

requires 3 numbers or coefficients (in 3D). Equivalent to

a first-rank tensor.

• Tensor:= quantity that requires higher order

descriptions but is the same, no mater what coordinate

system is used to describe it, e.g. stress, strain, elastic

modulus; requires 9 (or more, depending on rank)

numbers or coefficients.

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61

• If we have a vector response, R, that we can write

in component form, a vector field, F, that we can

also write in component form, and a property, P,

that we can write in matrix form (with nine

coefficients) then the linearity of the property

means that we can write the following (R0 = 0):

Ri = PijFj

tensor.

• A vector (e.g. electric current) is also known as a

first-rank tensor.

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62

• This means that each component of the response is

linearly related to each component of the field and that

the proportionality constant is the appropriate coefficient

in the matrix. Example:

R1 = P13F3,

which says that the first component of the response is

linearly related to the third field component through the

property coefficient P13.

x3 F3

R1

x1

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63

• An example of such a linear anisotropic (second

order tensor, discussed in later slides) property is

the electrical conductivity of a material:

• Response: Current Density, J

• Property: Conductivity, s

• Ji = sij Ej

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64

• We can illustrate anisotropy with Nye’s example of

electrical conductivity, s:

Response: j1=s11E1, j2=s21E1, j3=s31E1,

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65

• Many different choices are possible for the orthonormal base vectors

and origin of the Cartesian coordinate system. A vector is an example

of an entity which is independent of the choice of coordinate system.

Its direction and magnitude must not change (and are, in fact,

invariants), although its components will change with this choice.

• Why would we want to do something like this? For example, although

the properties are conveniently expressed in a crystal reference frame,

experiments often place the crystals in a non-symmetric position with

respect to an experimental frame. Therefore we need some way of

converting the coefficients of the property into the experimental

frame.

• Changing the coordinate system is also known as axis transformation.

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66

• One motivation for axis transformations is the need to

solve problems where the specimen shape (and the

stimulus direction) does not align with the crystal axes.

Consider what happens when you apply a force parallel to

the sides of this specimen …

[100]

The direction parallel to the

long edge does not line up with

Applied stress

any simple, low index crystal

direction. Therefore we have to

find a way to transform the

properties that we know for the

material into the frame of the

problem (or vice versa).

[110]

Image of Pt surface from www.cup.uni-muenchen.de/pc/wintterlin/IMGs/pt10p3.jpg

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67

New Axes

• Consider a new orthonormal system consisting of right-

handed base vectors: e ˆ1¢, eˆ¢2 and eˆ¢3

These all have the same origin, o,

associated with e ˆ1¢, eˆ¢2 and eˆ¢3

• The vector v is clearly expressed equally well in either

coordinate system:

v = vieˆi = v¢ieˆ¢i

Note - same physical vector but different values of the

components.

• We need to find a relationship between the two sets of

components for the vector.

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68

Anisotropy in Composites

• The same methods developed here for describing

the anisotropy of single crystals can be applied to

composites.

• Anisotropy is important in composites, not

because of the intrinsic properties of the

components but because of the arrangement of

the components.

• As an example, consider (a) a uniaxial composite

(e.g. tennis racket handle) and (b) a flat panel

cross-ply composite (e.g. wing surface).

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69

Fiber Symmetry

z

y

x

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70

Fiber Symmetry

• We will use the same matrix notation for stress,

strain, stiffness and compliance as for single

crystals.

• The compliance matrix, s, has 5 independent

coefficients.

é s11 s12 s13 0 0 0 ù

ê ú

ê s12 s11 s13 0 0 0 ú

ê s13 s13 s33 0 0 0 ú

ê ú

ê0 0 0 s44 0 0 ú

ê0 0 0 0 s44 0 ú

ê ú

ë0 0 0 0 0 2( s11 - s12 ) û

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71

Relationships

• For a uniaxial stress along the z (3) direction,

s3 1 æ s zz ö

E3 = = ç= ÷

e 3 s33 è e zz ø

• This stress causes strain in the transverse plane:

e11 = e22 = s12s33. Therefore we can calculate

ratio as:

Poisson’s

e1 s13 æ exx ö

n13 = = ç= ÷

e3 s33 è ezz ø

• Similarly, stresses applied perpendicular to z give

rise to different moduli and Poisson’s ratios.

s1 1 -s -s

E1 = = , n 21 = 12 , n 31 = 13

e1 s11 s11 s11

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72

Relationships, contd.

• Similarly the torsional modulus is related to

shears involving the z axis, i.e. yz or xz shears:

s44 = s55 = 1/G

other compliance coefficients:

s66 = 2(s11-s12) = 1/Gxy

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73

• Again, we use the same matrix notation for stress, strain,

stiffness and compliance as for single crystals.

• The compliance matrix, s, has 9 independent coefficients.

• This corresponds to othorhombic sample symmetry: see

the following slide with Table from Nye’s book.

ê ú

ê s12 s22 s23 0 0 0ú

ê s13 s23 s33 0 0 0ú

ê ú

ê0 0 0 s44 0 0ú

ê0 0 0 0 s55 0ú

ê ú

ë0 0 0 0 0 s66 û

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74

• If the composite is a laminate composite with fibers laid in at 0° and

90° in equal thicknesses then the symmetry is higher because the x

and y directions are equivalent.

• The compliance matrix, s, has 6 independent coefficients.

• This corresponds to (tetragonal) 4mm sample symmetry: see the

following slide with Table from Nye’s book.

ê ú

ê s12 s11 s13 0 0 0ú

ê s13 s13 s33 0 0 0ú

ê ú

ê0 0 0 s44 0 0ú

ê0 0 0 0 s44 0ú

ê ú

ë0 0 0 0 0 s66 û

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75

Effect of Symmetry on the

Elasticity Tensors, S, C

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76

described as tensors.

• The rank of each tensor property depends,

naturally, on the nature of the quantities related

by the property.

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77

Tensors

• Table 1 shows a series of tensors that are of importance for material

science. The tensors are grouped by rank, and are also labeled (in the

last column) by E (equilibrium property) or T (transport property). The

number following this leter indicates the maximum number of

independent, nonzero elements in the tensor, taking into account

symmetries imposed by thermodynamics.

• The Field and Response columns contain the following symbols: ∆T =

temperature difference, ∆S = entropy change, Ei = electric field

components, Hi = magnetic field components, eij = mechanical strain,

Di = electric displacement, Bi = magnetic induction, sij = mechanical

stress, ∆bij = change of the impermeability tensor, ji = electrical

current density, jT = temperature gradient, hi = heat flux, jc =

concentration gradient, mi = mass flux, rai = anti-symmetric part of

resistivity tensor, rsi = symmetric part of resistivity tensor, ∆rij =

change in the component ij of the resistivity tensor, li = direction

cosines of wave Please

direction in crystal, G = gyration constant,

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78

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79

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80

Electrocaloric = pyroelectric

Magnetocaloric = pyromagnetic

Thermal expansion = piezocaloric

Magnetoelectric and converse magnetoelectric

Piezoelectric and converse piezoelectric

Piezomagnetic and converse piezomagnetic

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81

Principal Effects

Courtesy of Prof. M. De Graef

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82

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83

Point group 4

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84

Note how many fewer independent coefficients there are!

Note how the center of symmetry eliminates many of the

properties, such as pyroelectricity

Courtesy of Prof. M. De Graef

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85

Homogeneity

• Stimuli and responses of interest are, in general, not scalar quantities but

tensors. Furthermore, some of the properties of interest, such as the

plastic properties of a material, are far from linear at the scale of a

polycrystal. Nonetheless, they can be treated as linear at a suitably local

scale and then an averaging technique can be used to obtain the response

of the polycrystal. The local or microscopic response is generally well

understood but the validity of the averaging techniques is still controversial

in many cases. Also, we will only discuss cases where a homogeneous

response can be reasonably expected.

• There are many problems in which a non-homogeneous response to a

homogeneous stimulus is of critical importance. Stress-corrosion cracking,

for example, is a wildly non-linear, non-homogeneous response to an

approximately uniform stimulus which depends on the mechanical and

electro-chemical properties of the material.

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86

• Note that the 6x6 transformation matrix can be

programmed inside Matlab just as a 3x3 can.

• In order to apply a transformation (e.g. a

symmetry operator) to a 6x6 stiffness or

compliance matrix, the formula is the same as

before, i.e.:

C’= O C OT

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87

Matrix

representation of

the

rotation point

groups

What is a group? A group is a set of

objects that form a closed set: if you

combine any two of them together, the

result is simply a different member of that

same group of objects. Rotations in a

given point group form closed sets try it

for yourself!

Note: the 3rd matrix in the 1st

column (xdiad) is missing a “” on

the 33 element; this is corrected in

this slide. Also, in the 2nd from the

Kocks, Tomé & Wenk:

bottom, last column: the 33 element

should be +1, not 1. In some

Ch. 1 Table II

versions of the book, in the last

matrix (bottom right corner) the 33

element is incorrectly given as 1;

here the +1 is correct.

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